N,N-diethyl-3-[[2-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethoxy]phenyl]methyl]benzamide

C32H38N4O3 — CID 22380732

About N,N-diethyl-3-[[2-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethoxy]phenyl]methyl]benzamide

N,N-diethyl-3-[[2-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethoxy]phenyl]methyl]benzamide (PubChem CID 22380732) has the molecular formula C32H38N4O3 and a molecular weight of 526.68 g/mol. Its IUPAC name is N,N-diethyl-3-[[2-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethoxy]phenyl]methyl]benzamide.

Molecular Properties

• Compound Name: N,N-diethyl-3-[[2-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethoxy]phenyl]methyl]benzamide
• PubChem CID: 22380732
• Molecular Formula: C32H38N4O3
• Molecular Weight: 526.68 g/mol
• Exact Mass: 526.29
• IUPAC Name: N,N-diethyl-3-[[2-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethoxy]phenyl]methyl]benzamide
• SMILES: CCN(CC)C(=O)c1cccc(Cc2ccccc2OCCN2CCC(n3c(=O)[nH]c4ccccc43)CC2)c1
• InChI: InChI=1S/C32H38N4O3/c1-3-35(4-2)31(37)26-12-9-10-24(23-26)22-25-11-5-8-15-30(25)39-21-20-34-18-16-27(17-19-34)36-29-14-7-6-13-28(29)33-32(36)38/h5-15,23,27H,3-4,16-22H2,1-2H3,(H,33,38)
• InChIKey: ORPLWYIFDPVNKC-UHFFFAOYSA-N
• XLogP: 5.12
• TPSA: 70.57 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	526.68
LogP ≤ 5	5.12
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-[[2-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethoxy]phenyl]methyl]benzamide?

The IUPAC name of N,N-diethyl-3-[[2-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethoxy]phenyl]methyl]benzamide (CID 22380732) is N,N-diethyl-3-[[2-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethoxy]phenyl]methyl]benzamide.

What is the SMILES notation for N,N-diethyl-3-[[2-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethoxy]phenyl]methyl]benzamide?

The canonical SMILES for N,N-diethyl-3-[[2-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethoxy]phenyl]methyl]benzamide is CCN(CC)C(=O)c1cccc(Cc2ccccc2OCCN2CCC(n3c(=O)[nH]c4ccccc43)CC2)c1.

What is the InChIKey of N,N-diethyl-3-[[2-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethoxy]phenyl]methyl]benzamide?

The InChIKey is ORPLWYIFDPVNKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H38N4O3/c1-3-35(4-2)31(37)26-12-9-10-24(23-26)22-25-11-5-8-15-30(25)39-21-20-34-18-16-27(17-19-34)36-29-14-7-6-13-28(29)33-32(36)38/h5-15,23,27H,3-4,16-22H2,1-2H3,(H,33,38).

What are the key properties of N,N-diethyl-3-[[2-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethoxy]phenyl]methyl]benzamide?

N,N-diethyl-3-[[2-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethoxy]phenyl]methyl]benzamide has a molecular weight of 526.68 g/mol, XLogP of 5.12, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-diethyl-3-[[2-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethoxy]phenyl]methyl]benzamide is sourced from PubChem (CID 22380732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).